General Information of the Compound
| Compound ID |
CP0462050
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| Compound Name |
1-(benzenesulfonyl)-4-(1-propylpiperidin-4-yl)-2,3-dihydroindole
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| Structure |
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| Formula |
C22H28N2O2S
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| Molecular Weight |
384.545
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| Canonical SMILES |
CCCN1CCC(CC1)c1cccc2N(CCc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H28N2O2S/c1-2-14-23-15-11-18(12-16-23)20-9-6-10-22-21(20)13-17-24(22)27(25,26)19-7-4-3-5-8-19/h3-10,18H,2,11-17H2,1H3
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| InChIKey |
OQBXWWGQCMPQTM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00943, D(3) dopamine receptor